3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C14H13N5O2 — CID 169417443

IUPAC3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCn1cncc1C1CC(=O)Nc2n[nH]c(-c3ccco3)c21
InChIInChI=1S/C14H13N5O2/c1-19-7-15-6-9(19)8-5-11(20)16-14-12(8)13(17-18-14)10-3-2-4-21-10/h2-4,6-8H,5H2,1H3,(H2,16,17,18,20)
InChIKeyXTALIMOIEQXXMQ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.88
Rot. Bonds2

About 3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 169417443) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID169417443
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCn1cncc1C1CC(=O)Nc2n[nH]c(-c3ccco3)c21
InChIInChI=1S/C14H13N5O2/c1-19-7-15-6-9(19)8-5-11(20)16-14-12(8)13(17-18-14)10-3-2-4-21-10/h2-4,6-8H,5H2,1H3,(H2,16,17,18,20)
InChIKeyXTALIMOIEQXXMQ-UHFFFAOYSA-N
XLogP1.88
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-3-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169419074
3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412310
3-amino-4-(furan-2-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137273151
(4S)-3-(furan-2-yl)-4-pyridin-3-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 51611436
7-(dimethylsulfamoylamino)-4-(3-methylimidazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline
CID 169414839
(4R)-4-(2-chlorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135577812
4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621384
3,4-bis(4-chlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621383
4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one
CID 66118016
3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621381
(4S)-4-(1,5-dimethylpyrazol-4-yl)-3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136699299
(4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
CID 97031037

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 169417443) is 3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Cn1cncc1C1CC(=O)Nc2n[nH]c(-c3ccco3)c21.
What is the InChIKey of 3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is XTALIMOIEQXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-19-7-15-6-9(19)8-5-11(20)16-14-12(8)13(17-18-14)10-3-2-4-21-10/h2-4,6-8H,5H2,1H3,(H2,16,17,18,20).
What are the key properties of 3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 283.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-(3-methylimidazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 169417443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).